cell_volume         :real:0:
  0.647839971561998E+004
orbital_charges     :real:2:4,60
  0.136224480432586E+001  0.159052106200903E+001  0.110457913024203E+001
  0.107359402438901E+001  0.110649321531288E+001  0.958135636782808E+000
  0.797847188631258E+000  0.896786421377921E+000  0.114966155574759E+001
  0.112209080296624E+001  0.862476539609142E+000  0.903343831939637E+000
  0.150901523862116E+001  0.122209745481281E+001  0.101559557527312E+001
  0.156951130755340E+001  0.115013232861485E+001  0.103931160833958E+001
  0.903171914760382E+000  0.817812161825125E+000  0.109771983738626E+001
  0.862943517780885E+000  0.881101756932639E+000  0.817324817139733E+000
  0.148250562764571E+001  0.134325660377486E+001  0.158424446713482E+001
  0.103681559976070E+001  0.114002880253882E+001  0.858821472008479E+000
  0.874474251158580E+000  0.875330689581622E+000  0.149535697084810E+001
  0.127788725746204E+001  0.107356476721228E+001  0.153310377335939E+001
  0.139503955593137E+001  0.172484534179252E+001  0.114056121443649E+001
  0.109609039392063E+001  0.139154171270684E+001  0.164338094174387E+001
  0.118803898579004E+001  0.108047491580767E+001  0.102039242585172E+001
  0.849380691341995E+000  0.777537910954697E+000  0.787198485665526E+000
  0.136475196379364E+001  0.165719174661634E+001  0.111716210795681E+001
  0.107276251529937E+001  0.118497700762605E+001  0.102746804115215E+001
  0.942197811744450E+000  0.861771691041174E+000  0.119037418743965E+001
  0.109956854070743E+001  0.945203407739505E+000  0.899169844243413E+000
  0.106323320049433E+001  0.825943705540810E+000  0.843599378143949E+000
  0.772934696806146E+000  0.174816426547973E+001  0.147869844854782E+001
  0.183754078065091E+001  0.146932691545789E+001  0.175693071769996E+001
  0.143675641391098E+001  0.169947993000973E+001  0.160164655553102E+001
  0.125935111992992E+001  0.101232913181726E+001  0.977122781269914E+000
  0.958037735851959E+000  0.949999907738944E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.796441353160474E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.949184558520472E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.774485551372339E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.747166366022746E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.740041436353008E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.902451946369621E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.906840857994283E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.940956153534870E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.917635873222502E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.786045549094959E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.136208286043785E+001  0.160169592828813E+001  0.109142150854878E+001
  0.108747534817073E+001  0.110820165854078E+001  0.967491173161543E+000
  0.818367389219158E+000  0.878921170558153E+000  0.114863947343466E+001
  0.111877830728320E+001  0.885014974713627E+000  0.878273951972676E+000
  0.150894402613317E+001  0.121593203996549E+001  0.104421160017762E+001
  0.154075998307069E+001  0.115158648521284E+001  0.104415081657354E+001
  0.907059926497460E+000  0.815758285991371E+000  0.109796847774613E+001
  0.859591765834117E+000  0.873242485808319E+000  0.825841668582863E+000
  0.148142692586682E+001  0.133257692391825E+001  0.159590440679628E+001
  0.102188540481356E+001  0.113895508228163E+001  0.854385478661060E+000
  0.842248662885006E+000  0.904815236270650E+000  0.149607341323821E+001
  0.128899907930329E+001  0.118845140236145E+001  0.142039557279803E+001
  0.139601854298568E+001  0.171650485087531E+001  0.113863810923552E+001
  0.110033903079050E+001  0.139164537410146E+001  0.164328634876775E+001
  0.118499869393666E+001  0.108287021651862E+001  0.101641606096838E+001
  0.842937154827778E+000  0.771809658504540E+000  0.785257527337048E+000
  0.136521858734678E+001  0.164288772989785E+001  0.110542752510459E+001
  0.108661180016534E+001  0.118511593094908E+001  0.102679194623476E+001
  0.915898122505687E+000  0.888956495266365E+000  0.118987651600224E+001
  0.111429695111325E+001  0.945756495245108E+000  0.897488292638529E+000
  0.106301250056620E+001  0.823875495220416E+000  0.842308235982510E+000
  0.774147447577158E+000  0.174844841736296E+001  0.147312352570376E+001
  0.172088340985136E+001  0.158617991688730E+001  0.175753242481449E+001
  0.144962788911300E+001  0.182057874020005E+001  0.148249509470681E+001
  0.125878269370719E+001  0.101352747784047E+001  0.961123951013296E+000
  0.973346238714511E+000  0.953375808230529E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.805426665564604E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.942154543594420E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.774213219460575E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.741653370586722E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.741487357127495E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.903290001963099E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.909719569066107E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.947699482984670E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.927675247525739E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.773405631509985E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,60
  0.760928274374648E-002 -0.238153170494793E-003  0.113168688949946E-001
  0.706128698924477E-002  0.248287624094207E-003 -0.321343403649793E-001
  0.100361446137598E-001 -0.206176593965676E-003  0.424449911846037E-001
 -0.812528131581964E-003 -0.364145128661343E-003  0.896472098531991E-002
 -0.854405781551927E-002 -0.116880256491094E-004 -0.390956711511491E-001
 -0.741559823999430E-002  0.283791559046393E-003 -0.330824304831153E-002
  0.600531814091802E-002  0.286478085211181E-003 -0.516268049889554E-002
 -0.861693721470926E-002  0.516015796867128E-003  0.162135874321513E-001
 -0.168577942406674E-002 -0.127368070272729E-003  0.709037521896281E-003
  0.243781883312687E-002  0.266919666240849E-004  0.530706066242571E-002
 -0.114628690652111E-002  0.106018478515343E-003 -0.782981069453557E-002
  0.175983018301025E-001 -0.854964815639999E-003  0.351216525300064E-003
  0.125169314419956E-002  0.254179364976208E-003 -0.429079023153339E-003
 -0.407344468303408E-002  0.178408098450612E-003  0.476082726832276E-002
  0.102566671949209E-001 -0.138935236908402E-003  0.132156861318646E-003
  0.110857736218765E-001 -0.117106834765673E-003 -0.510217124409067E-002
 -0.737352044255600E-002  0.675035865809492E-003 -0.825041728784148E-003
 -0.857247905270839E-002 -0.626739888740832E-003 -0.147216986276441E-002
 -0.702755378444701E-002 -0.189416146843374E-002  0.327724195813612E-003
 -0.130753429139254E-001  0.164718118621630E-003  0.100649633327555E-001
 -0.109943641237186E-001  0.337346445747781E-003 -0.102163051913194E-001
  0.324223935589168E-002  0.312132463352067E-004 -0.119651972287550E-001
  0.118156018556825E-001  0.813104515447641E-004 -0.756893283408735E-002
  0.289455157461270E-002  0.415659541672843E-003  0.115981531670133E-001
  0.622292401339791E-003 -0.225144370594619E-003 -0.838963532636889E-002
 -0.344709768404825E-003 -0.137970817911947E-002 -0.119211987368733E-002
  0.533947545470730E-003  0.755831793070047E-003 -0.100244207088432E-002
 -0.235682957982203E-003  0.124251540473308E-003  0.199278296532647E-002
  0.350280469908040E-003 -0.110907789106041E-004  0.108448478296115E-001
 -0.110067668436258E-001 -0.196022244702858E-003  0.136307694641511E-001
  0.225294104674990E-002 -0.628960733162598E-004  0.108069229195301E-001
  0.157482605046306E-001  0.107523811998914E-003 -0.256503313535963E-001
 -0.147978564002801E-002  0.936122595425975E-004  0.417507525681830E-001
 -0.455395706923390E-002  0.826209338858670E-004  0.776529172070749E-002
  0.551664544824853E-002 -0.198964807290561E-003 -0.406342023509206E-001
 -0.402804831756571E-002 -0.229368168421814E-003 -0.121932735407816E-002
  0.475007297817283E-002  0.413124831243955E-003 -0.785372484861999E-002
 -0.886366118888432E-002 -0.193067760491950E-003  0.177889404394330E-001
 -0.279178837101020E-002  0.577971935754108E-004 -0.292006448223241E-002
 -0.199250713857012E-002 -0.138826088764106E-003  0.299999471484227E-002
  0.622344520071586E-002 -0.202194067674692E-003 -0.817314934435327E-002
  0.925609145928499E-002 -0.905148862165238E-003  0.403282785855453E-002
  0.575186845985445E-002  0.179354534829539E-003  0.406804083255478E-002
 -0.114943396619797E-001  0.150871809397732E-003 -0.694165203644446E-003
  0.120873043186317E-001  0.140890750562816E-003  0.222595757042339E-002
  0.569998766731296E-002 -0.123089972863856E-003 -0.265327259959385E-002
 -0.348631473192632E-002  0.575506985463857E-003 -0.515210482884303E-002
 -0.375243630576927E-002  0.529944420095025E-003 -0.467441294658563E-002
 -0.715802866861863E-002  0.835171725350407E-003 -0.300440773383773E-002
 -0.158797193645158E-001 -0.914561832957183E-004  0.648456477279396E-002
 -0.733699179867594E-002  0.146997721844358E-003 -0.130429490428394E-001
  0.575603566208271E-002 -0.279845517436821E-004 -0.105572855748948E-001
  0.141438998645929E-001 -0.120785826981220E-003 -0.403349453961441E-002
  0.827353765973872E-004 -0.561053149991035E-004  0.133173653208878E-001
  0.219656283632653E-002 -0.311478068701706E-003 -0.434601365556734E-002
 -0.376002202564124E-003 -0.529426452744581E-003 -0.158454252821997E-002
 -0.103660889726915E-003  0.212608794788250E-002 -0.832253325105149E-003
 -0.649754925520271E-003  0.810377497318208E-004  0.227612056891243E-002
 -0.240192294592822E-002  0.318662877901399E-004  0.111234505668756E-001
 -0.149930796146874E-001 -0.455449933941244E-003  0.941960370961220E-002
mermin_energy       :real:0:
 -0.893130677522748E+002
end_coords          :real:2:3,60
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.260309565954148E+001
  0.255944676865728E+001  0.000000000000000E+000  0.326144028916859E+001
  0.409399497823082E+001  0.000000000000000E+000  0.114310280939535E+001
  0.249934403359053E+001  0.000000000000000E+000 -0.751211433883848E+000
  0.310910191832529E+001  0.000000000000000E+000  0.587652626010760E+001
  0.112939284734820E+001  0.000000000000000E+000  0.749563025904011E+001
 -0.124634609905537E+001  0.000000000000000E+000  0.658071753194363E+001
 -0.199009122555834E+001  0.000000000000000E+000  0.417599018887526E+001
  0.547331731565051E+001  0.000000000000000E+000  0.679896009663862E+001
  0.176541225414625E+001 -0.193129996032766E-002  0.128967921672687E+002
 -0.434935554079348E+000 -0.195586639817919E-002  0.143013234493760E+002
 -0.500021496577983E-002 -0.388149718054111E-002  0.169000368343500E+002
  0.236680243220358E+001 -0.578067179906293E-002  0.179684557829507E+002
  0.450323403831747E+001 -0.574476700527993E-002  0.165619308399254E+002
  0.422853590971368E+001 -0.379834923704364E-002  0.138064079924192E+002
 -0.255751924814893E+001 -0.198232256201929E-002  0.133991153501008E+002
  0.604880879903437E+001 -0.379456978506648E-002  0.123433859115134E+002
  0.712017005099930E+001 -0.572020056742840E-002  0.176553848784228E+002
 -0.271752423732790E+001  0.000000000000000E+000  0.801487782782589E+001
 -0.154893847297657E+001  0.000000000000000E+000 -0.111327159493964E+001
  0.301890718661641E+001  0.000000000000000E+000 -0.272970352132429E+001
  0.693800613487826E+001  0.000000000000000E+000  0.558044399221706E+001
  0.578800204617262E+001  0.000000000000000E+000  0.870539315268257E+001
  0.152842171791856E+001 -0.191240270044187E-002  0.109346764452453E+002
  0.818602086198154E+001 -0.166485993429396E+001  0.170210624455625E+002
  0.818649707293066E+001  0.165349512219865E+001  0.170229313845653E+002
  0.706918335410145E+001 -0.766661833566469E-002  0.197224049592502E+002
  0.240162441299513E+001 -0.582791494877740E-002  0.200188141497368E+002
 -0.157906826413847E+001 -0.389094581048400E-002  0.179823093641730E+002
  0.301890718661641E+001  0.642506836116834E+001 -0.272970352132429E+001
  0.235773741663637E+001  0.642506836116834E+001 -0.211974343590875E+000
  0.466603204250756E+001  0.642506836116834E+001  0.107486480394776E+001
  0.668830152219942E+001  0.642506836116834E+001 -0.584237135259003E+000
  0.562708998851914E+001  0.642506836116834E+001 -0.282145916669974E+001
  0.453344508769688E+001  0.642506836116834E+001  0.374380040665732E+001
  0.220741538342288E+001  0.642506836116834E+001  0.480697158618775E+001
  0.141969444343969E+000  0.642506836116834E+001  0.331864040511689E+001
  0.334027965741210E-001  0.642506836116834E+001  0.803868648555600E+000
  0.658583490992070E+001  0.642506836116834E+001  0.523648173695389E+001
  0.145071240581622E+001  0.642313706120801E+001  0.101925527036405E+002
 -0.103421868765942E+001  0.642311249477016E+001  0.109921486817359E+002
 -0.127844120524539E+001  0.642118686398780E+001  0.136148389100530E+002
  0.744208109370174E+000  0.641928768936928E+001  0.152506443072726E+002
  0.316782704314637E+001  0.641932359416306E+001  0.144328861727009E+002
  0.360202371436418E+001  0.642127001193130E+001  0.116979575590182E+002
 -0.285803859266066E+001  0.642308603860632E+001  0.958040242580421E+001
  0.573420154727778E+001  0.642127379138327E+001  0.107452540916021E+002
  0.542121001124143E+001  0.641934816060091E+001  0.161551692106098E+002
 -0.164522946072460E+001  0.642506836116834E+001  0.433209667333979E+001
  0.180352991706187E+001  0.642506836116834E+001 -0.419988577400084E+001
  0.663214264527083E+001  0.642506836116834E+001 -0.460310227736189E+001
  0.831198621692823E+001  0.642506836116834E+001  0.442994857475439E+001
  0.640597645950573E+001  0.642506836116834E+001  0.716032105907864E+001
  0.171986040919155E+001  0.642315595846790E+001  0.823458870961401E+001
  0.661322081894719E+001  0.476020842687438E+001  0.158123691368296E+002
  0.661320759086527E+001  0.807856348336699E+001  0.158142966573380E+002
  0.484688448879253E+001  0.641740174283267E+001  0.181414507485752E+002
  0.257108559102094E+000  0.641924044621956E+001  0.172426082512856E+002
 -0.307578037996868E+001  0.642117741535785E+001  0.142618149481328E+002
stress              :real:2:3,3
  0.554475024955375E-004 -0.861000592022204E-006 -0.307517852439993E-004
 -0.860975036125994E-006 -0.766453088136633E-005 -0.139690717711394E-005
 -0.307477495630448E-004 -0.139695196099263E-005  0.171298690035650E-003
